2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(1-oxo-3-phenylprop-2-ynyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-phenylpropioloyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C#CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C#CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H16N2O2S/c19-17(22)16-13-8-4-5-9-14(13)23-18(16)20-15(21)11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9H2,(H2,19,22)(H,20,21)